Geometry & MOs

Info

ID:	292959
PubChem CID:	117367082
Reduced:	BrFNC10H13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	245.02154
ΔH_f, kcal/mol:	-40.89
Dipole, Da:	3.78
IP(EA), eV:	-9.52(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-2-fluoro-5-methylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Br)F)CCCN

DOS

IR

Vibrations